#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy n ASP 2 N 0.00 4.31 0.15 6.55 9.92 -1.26 -2.32 116.55 133.91 1bwy n ASP 2 Ca 0.00 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 1bwy n ASP 2 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 3.25 0.39 -0.28 2.24 0.00 -1.26 -4.95 120.51 119.89 1bwy n ALA 3 Ca 0.37 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.92 1bwy n ALA 3 Cb 0.41 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.12 1bwy n ALA 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwy h PHE 4 N 0.00 0.39 0.00 0.00 0.04 -1.84 -3.42 116.94 112.11 1bwy h PHE 4 Ca 0.00 0.05 -0.44 0.00 2.80 0.00 0.00 57.97 60.37 1bwy h PHE 4 Cb 0.00 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 1bwy h PHE 4 CO 0.00 -0.14 1.28 0.28 -0.60 0.00 0.00 178.31 179.13 1bwy n VAL 5 N -5.17 0.00 -0.32 -0.55 0.31 -1.25 -4.65 118.33 106.70 1bwy n VAL 5 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1bwy n VAL 5 Cb 0.60 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 6 N 5.25 0.73 3.28 2.92 0.00 -0.21 -5.02 105.19 112.14 1bwy n GLY 6 Ca 0.49 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1bwy n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s THR 7 N -3.34 2.67 0.21 2.61 2.01 0.29 -0.35 115.64 119.75 1bwy s THR 7 Ca 0.00 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.30 1bwy s THR 7 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1bwy s THR 7 CO 0.00 0.52 -0.01 0.26 -0.69 0.00 0.00 174.62 174.70 1bwy s TRP 8 N 0.64 2.76 -0.10 4.92 0.52 0.30 -0.35 118.94 127.64 1bwy s TRP 8 Ca -0.08 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 55.89 1bwy s TRP 8 Cb -0.16 -1.29 -0.00 0.00 -1.15 0.00 0.00 33.47 30.87 1bwy s TRP 8 CO 0.02 0.56 -0.23 0.21 0.02 0.00 0.00 176.95 177.53 1bwy s LYS 9 N -3.25 3.03 0.31 4.98 2.20 0.93 -0.56 119.74 127.38 1bwy s LYS 9 Ca 0.29 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1bwy s LYS 9 Cb -0.08 -2.32 -0.11 0.00 -1.51 0.00 0.00 37.83 33.81 1bwy s LYS 9 CO 0.19 0.21 1.47 -1.17 -0.36 0.00 0.00 175.35 175.69 1bwy s LEU 10 N 0.28 4.36 0.00 5.43 0.20 0.72 -0.24 118.68 129.43 1bwy s LEU 10 Ca -0.16 2.86 0.00 0.00 0.69 0.00 0.00 54.13 57.52 1bwy s LEU 10 Cb -0.17 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 41.94 1bwy s LEU 10 CO 0.08 -0.78 0.00 0.55 -0.29 0.00 0.00 176.35 175.91 1bwy n VAL 11 N 1.48 0.00 -4.69 1.68 3.14 -0.39 -4.87 118.33 114.68 1bwy n VAL 11 Ca 0.04 0.02 -0.34 0.00 -2.96 0.00 0.00 64.34 61.11 1bwy n VAL 11 Cb 0.39 -0.96 -0.12 0.00 -1.06 0.00 0.00 33.84 32.10 1bwy n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bwy s ASP 12 N -4.23 4.48 0.08 6.55 1.01 -1.24 -4.99 116.67 118.33 1bwy s ASP 12 Ca 0.00 -0.07 -0.26 0.00 0.71 0.00 0.00 52.55 52.93 1bwy s ASP 12 Cb 0.00 -1.10 0.08 0.00 1.01 0.00 0.00 42.92 42.92 1bwy s ASP 12 CO 0.00 0.35 0.74 -0.55 0.21 0.00 0.00 175.17 175.93 1bwy s SER 13 N -0.76 -0.46 0.28 0.27 0.15 -1.26 -0.59 113.70 111.32 1bwy s SER 13 Ca 0.12 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 1bwy s SER 13 Cb -0.11 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1bwy s SER 13 CO 0.01 -0.81 0.61 -0.54 1.20 0.00 0.00 173.24 173.71 1bwy s LYS 14 N -3.45 1.75 -0.51 5.44 -0.14 -1.22 -5.01 119.74 116.59 1bwy s LYS 14 Ca 0.03 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1bwy s LYS 14 Cb -0.01 0.54 0.00 0.00 -1.68 0.00 0.00 37.83 36.68 1bwy s LYS 14 CO -0.11 -0.77 0.00 0.09 -0.76 0.00 0.00 175.35 173.80 1bwy n ASN 15 N -0.61 -5.22 -0.33 2.83 4.13 -1.26 -4.31 115.26 110.49 1bwy n ASN 15 Ca -0.03 0.12 -0.04 0.00 1.68 0.00 0.00 54.58 56.31 1bwy n ASN 15 Cb 0.61 -3.14 0.09 0.00 -1.54 0.00 0.00 39.78 35.79 1bwy n ASN 15 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1bwy h PHE 16 N 0.00 1.24 0.00 3.10 -1.00 -1.94 -2.82 116.94 115.51 1bwy h PHE 16 Ca -0.10 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1bwy h PHE 16 Cb 0.86 -0.39 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1bwy h PHE 16 CO 0.48 0.87 0.00 -0.25 -1.61 0.00 0.00 178.31 177.80 1bwy n ASP 17 N -4.32 0.00 -0.36 2.17 9.92 -1.26 -0.86 116.55 121.83 1bwy n ASP 17 Ca 0.09 0.91 -0.06 0.00 -0.53 0.00 0.00 54.79 55.20 1bwy n ASP 17 Cb 0.12 -0.41 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bwy n ASP 18 N -2.09 -0.81 -0.35 -2.24 2.03 -1.25 -0.21 116.55 111.64 1bwy n ASP 18 Ca 0.00 1.58 0.03 0.00 0.52 0.00 0.00 54.79 56.92 1bwy n ASP 18 Cb 0.00 -0.26 0.18 0.00 -0.72 0.00 0.00 41.12 40.31 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 1.11 0.06 -0.67 5.03 -1.26 -1.35 116.97 119.90 1bwy h TYR 19 Ca 0.21 0.03 -0.24 0.00 2.58 0.00 0.00 58.73 61.31 1bwy h TYR 19 Cb 0.43 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1bwy h TYR 19 CO -0.87 0.54 -1.09 0.52 -1.32 0.00 0.00 178.16 175.94 1bwy h MET 20 N 1.06 0.18 -2.27 1.82 2.86 0.20 -1.15 114.93 117.63 1bwy h MET 20 Ca 0.43 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1bwy h MET 20 Cb 0.25 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1bwy h MET 20 CO -0.20 1.10 -0.02 1.17 1.06 0.00 0.00 176.91 180.02 1bwy n LYS 21 N -3.51 1.01 0.00 1.72 4.81 0.70 -0.71 118.16 122.19 1bwy n LYS 21 Ca -0.05 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 1bwy n LYS 21 Cb 0.95 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.40 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1bwy n SER 22 N 2.38 0.00 0.24 3.14 3.41 -1.23 -4.90 113.62 116.66 1bwy n SER 22 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 1bwy n SER 22 Cb 0.47 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.00 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwy h LEU 23 N 0.00 0.00 -1.35 1.04 5.85 -1.12 -3.47 115.31 116.27 1bwy h LEU 23 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1bwy h LEU 23 Cb 0.00 0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.08 1bwy h LEU 23 CO 0.00 0.18 -0.25 0.61 -0.34 0.00 0.00 178.44 178.63 1bwy n GLY 24 N -0.83 0.31 2.31 3.75 0.00 0.12 -4.95 105.19 105.91 1bwy n GLY 24 Ca -0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bwy n VAL 25 N -2.83 2.86 0.00 1.61 0.31 -1.23 -4.86 118.33 114.18 1bwy n VAL 25 Ca -0.04 -4.14 0.00 0.00 -0.01 0.00 0.00 64.34 60.15 1bwy n VAL 25 Cb 0.54 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 26 N -0.67 0.46 2.20 2.92 0.00 -1.26 -4.53 105.19 104.31 1bwy n GLY 26 Ca 0.48 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.37 1bwy n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bwy n PHE 27 N 0.00 -0.31 0.00 1.61 -0.00 -1.24 -3.49 117.46 114.03 1bwy n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1bwy n PHE 27 Cb 0.00 -2.86 0.00 0.00 -0.00 0.00 0.00 39.48 36.62 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bwy n ALA 28 N 0.62 0.00 -0.25 3.13 0.00 -1.26 -4.95 120.51 117.79 1bwy n ALA 28 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1bwy n ALA 28 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 1bwy n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bwy h THR 29 N 0.00 0.80 0.00 0.00 2.02 -1.91 0.64 112.91 114.46 1bwy h THR 29 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1bwy h THR 29 Cb 0.00 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1bwy h THR 29 CO 0.00 0.11 0.00 -1.14 0.37 0.00 0.00 175.52 174.86 1bwy n ARG 30 N -4.89 0.08 0.31 6.66 3.00 -1.26 -0.90 116.66 119.67 1bwy n ARG 30 Ca 0.12 0.43 0.18 0.00 -0.00 0.00 0.00 57.85 58.58 1bwy n ARG 30 Cb 0.32 -1.69 1.03 0.00 0.00 0.00 0.00 32.46 32.11 1bwy n ARG 30 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1bwy h GLN 31 N 0.00 0.00 0.00 -0.14 1.08 -1.26 0.45 115.11 115.25 1bwy h GLN 31 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1bwy h GLN 31 Cb 0.18 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1bwy h GLN 31 CO 0.00 0.00 -1.89 1.55 -0.95 0.00 0.00 178.83 177.54 1bwy n VAL 32 N -3.55 0.89 0.20 -0.54 3.14 -0.56 -4.62 118.33 113.30 1bwy n VAL 32 Ca -0.03 -0.35 0.10 0.00 -2.96 0.00 0.00 64.34 61.10 1bwy n VAL 32 Cb 0.08 -1.04 0.49 0.00 -1.06 0.00 0.00 33.84 32.31 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 33 N 2.73 -0.91 0.16 7.55 0.00 -0.07 -1.33 105.19 113.31 1bwy n GLY 33 Ca -0.27 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1bwy n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1bwy h ASN 34 N 0.00 0.23 0.08 1.61 7.08 -0.34 -3.34 115.58 120.89 1bwy h ASN 34 Ca 0.00 0.02 -0.35 0.00 -3.08 0.00 0.00 56.30 52.89 1bwy h ASN 34 Cb 0.09 -0.02 -0.03 0.00 -2.08 0.00 0.00 38.32 36.28 1bwy h ASN 34 CO 0.00 0.17 -1.98 0.80 -2.08 0.00 0.00 177.43 174.34 1bwy n MET 35 N -4.96 0.70 -1.22 4.14 0.00 -0.45 -4.71 117.12 110.63 1bwy n MET 35 Ca 0.01 0.30 -0.37 0.00 0.00 0.00 0.00 57.70 57.64 1bwy n MET 35 Cb 0.10 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 31.62 1bwy n MET 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1bwy n THR 36 N -3.66 2.73 -2.93 1.12 -1.04 -0.52 -4.29 114.28 105.70 1bwy n THR 36 Ca -0.35 -2.06 -0.13 0.00 -2.04 0.00 0.00 64.05 59.47 1bwy n THR 36 Cb 0.97 -2.39 0.03 0.00 -1.82 0.00 0.00 70.33 67.12 1bwy n THR 36 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bwy n LYS 37 N 5.63 1.02 -0.12 -2.82 4.81 -1.26 -4.76 118.16 120.66 1bwy n LYS 37 Ca 0.53 -2.69 -0.10 0.00 -0.87 0.00 0.00 58.31 55.18 1bwy n LYS 37 Cb 0.31 -1.29 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1bwy h PRO 38 N 2.93 0.60 -6.22 1.64 0.13 -1.77 -3.38 132.00 125.93 1bwy h PRO 38 Ca -0.02 -0.16 -0.55 0.00 -0.87 0.00 0.00 66.00 64.39 1bwy h PRO 38 Cb 1.06 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.05 1bwy h PRO 38 CO 0.32 0.67 -0.57 0.99 -0.23 0.00 0.00 178.00 179.18 1bwy s THR 39 N -5.16 4.27 -0.17 1.56 2.01 -1.15 -0.20 115.64 116.79 1bwy s THR 39 Ca -0.13 -1.32 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 1bwy s THR 39 Cb 0.09 -3.23 0.08 0.00 0.01 0.00 0.00 72.50 69.46 1bwy s THR 39 CO 0.77 -0.22 0.30 -0.89 -0.69 0.00 0.00 174.62 173.89 1bwy s THR 40 N -1.93 -0.46 0.17 -0.82 2.01 0.28 -3.87 115.64 111.02 1bwy s THR 40 Ca 0.31 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1bwy s THR 40 Cb -0.09 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 1bwy s THR 40 CO 0.23 0.02 0.93 -0.63 -0.69 0.00 0.00 174.62 174.47 1bwy s ILE 41 N 2.45 4.30 -0.41 1.82 1.01 0.18 -0.54 121.20 130.02 1bwy s ILE 41 Ca 0.03 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.73 1bwy s ILE 41 Cb -0.13 -4.30 0.13 0.00 0.01 0.00 0.00 42.46 38.17 1bwy s ILE 41 CO -0.11 0.42 0.22 -0.63 0.00 0.00 0.00 174.94 174.84 1bwy s ILE 42 N -0.64 1.21 -0.52 2.92 -1.09 0.52 -0.48 121.20 123.12 1bwy s ILE 42 Ca 0.43 -2.32 -0.21 0.00 -2.23 0.00 0.00 60.65 56.31 1bwy s ILE 42 Cb -0.24 -1.86 0.05 0.00 -1.58 0.00 0.00 42.46 38.83 1bwy s ILE 42 CO 0.30 -0.88 0.76 -1.61 -1.23 0.00 0.00 174.94 172.29 1bwy s GLU 43 N 0.59 3.21 0.36 2.79 2.02 -0.37 -1.04 118.70 126.26 1bwy s GLU 43 Ca 0.17 -0.62 -0.28 0.00 0.02 0.00 0.00 54.97 54.26 1bwy s GLU 43 Cb -0.24 -4.08 -0.10 0.00 0.10 0.00 0.00 34.13 29.82 1bwy s GLU 43 CO -0.02 -1.33 1.33 0.08 0.02 0.00 0.00 175.26 175.33 1bwy s VAL 44 N 3.19 2.61 0.30 2.63 1.01 -1.26 -0.55 120.40 128.33 1bwy s VAL 44 Ca 0.22 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1bwy s VAL 44 Cb -0.16 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1bwy s VAL 44 CO 0.15 0.13 -0.05 0.21 0.00 0.00 0.00 175.10 175.54 1bwy s ASN 45 N -0.52 2.88 0.01 3.32 2.47 0.16 -4.90 114.94 118.37 1bwy s ASN 45 Ca 0.52 -1.22 -0.03 0.00 0.42 0.00 0.00 52.86 52.55 1bwy s ASN 45 Cb -0.40 -0.19 -0.01 0.00 -1.45 0.00 0.00 41.25 39.20 1bwy s ASN 45 CO 0.53 -0.36 0.30 0.61 -3.72 0.00 0.00 177.10 174.46 1bwy n GLY 46 N -0.63 -0.76 0.17 1.21 0.00 -1.26 -0.82 105.19 103.10 1bwy n GLY 46 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1bwy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bwy n ASP 47 N -2.95 2.40 -3.17 1.61 5.75 -1.26 -5.07 116.55 113.86 1bwy n ASP 47 Ca 0.00 -2.54 -0.16 0.00 -0.01 0.00 0.00 54.79 52.07 1bwy n ASP 47 Cb 0.02 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1bwy s THR 48 N -1.95 0.00 -0.04 2.12 -4.23 0.00 -4.10 115.64 107.45 1bwy s THR 48 Ca 0.19 -1.70 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1bwy s THR 48 Cb 0.16 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1bwy s THR 48 CO 0.03 0.00 0.60 0.54 -0.54 0.00 0.00 174.62 175.26 1bwy s VAL 49 N -3.03 0.01 -0.10 2.29 0.11 0.02 -0.66 120.40 119.04 1bwy s VAL 49 Ca 0.33 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1bwy s VAL 49 Cb -0.00 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1bwy s VAL 49 CO 0.23 -0.05 -0.17 -0.51 -3.33 0.00 0.00 175.10 171.27 1bwy s ILE 50 N -1.27 1.54 -0.04 7.04 2.07 0.29 -0.43 121.20 130.40 1bwy s ILE 50 Ca -0.11 -0.69 -0.13 0.00 -1.41 0.00 0.00 60.65 58.30 1bwy s ILE 50 Cb -0.01 -1.39 -0.05 0.00 0.13 0.00 0.00 42.46 41.14 1bwy s ILE 50 CO 0.08 0.45 0.35 -0.51 -1.91 0.00 0.00 174.94 173.41 1bwy s ILE 51 N 0.75 5.14 -0.33 2.00 2.07 -0.66 -1.23 121.20 128.94 1bwy s ILE 51 Ca -0.11 0.71 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 1bwy s ILE 51 Cb -0.16 -3.66 0.10 0.00 0.13 0.00 0.00 42.46 38.88 1bwy s ILE 51 CO 0.02 0.56 0.10 -0.54 -1.91 0.00 0.00 174.94 173.17 1bwy s LYS 52 N -0.87 1.02 -1.11 3.50 1.02 0.37 -2.14 119.74 121.53 1bwy s LYS 52 Ca 0.22 -1.43 -0.22 0.00 0.02 0.00 0.00 55.97 54.55 1bwy s LYS 52 Cb -0.15 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1bwy s LYS 52 CO 0.11 -0.99 1.84 0.99 -0.92 0.00 0.00 175.35 176.38 1bwy s THR 53 N 1.25 3.67 -0.40 2.17 2.01 0.53 -0.64 115.64 124.24 1bwy s THR 53 Ca 0.11 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 1bwy s THR 53 Cb -0.19 -4.60 0.02 0.00 0.01 0.00 0.00 72.50 67.74 1bwy s THR 53 CO -0.17 -1.29 0.95 -1.10 -0.69 0.00 0.00 174.62 172.32 1bwy s GLN 54 N 6.00 3.77 0.09 4.92 -1.52 -1.25 -2.81 119.66 128.86 1bwy s GLN 54 Ca 0.63 0.51 0.02 0.00 -1.95 0.00 0.00 55.36 54.57 1bwy s GLN 54 Cb -0.01 -3.84 -0.01 0.00 -0.22 0.00 0.00 33.01 28.93 1bwy s GLN 54 CO 0.06 -1.05 0.07 0.45 -0.25 0.00 0.00 175.29 174.58 1bwy n SER 55 N 6.96 -0.06 0.00 5.90 2.88 -1.26 -2.95 113.62 125.08 1bwy n SER 55 Ca 0.08 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1bwy n SER 55 Cb 0.48 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1bwy n SER 55 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bwy n THR 56 N -0.18 0.00 -2.82 2.46 -2.24 -1.26 -4.83 114.28 105.41 1bwy n THR 56 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1bwy n THR 56 Cb 0.16 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1bwy n THR 56 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1bwy s PHE 57 N 0.00 3.17 0.00 4.78 0.08 -1.26 -4.75 117.98 120.00 1bwy s PHE 57 Ca 0.00 0.94 0.00 0.00 0.12 0.00 0.00 56.93 57.99 1bwy s PHE 57 Cb 0.00 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1bwy s PHE 57 CO 0.00 -0.67 0.00 1.17 -0.10 0.00 0.00 175.22 175.62 1bwy n LYS 58 N 6.50 0.00 -4.10 0.44 3.00 -1.26 -4.99 118.16 117.75 1bwy n LYS 58 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.27 1bwy n LYS 58 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.40 1bwy n LYS 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1bwy s ASN 59 N -1.22 0.83 0.03 3.14 0.02 -1.26 -4.18 114.94 112.30 1bwy s ASN 59 Ca 0.00 -0.81 -0.15 0.00 -1.02 0.00 0.00 52.86 50.89 1bwy s ASN 59 Cb 0.00 0.10 0.02 0.00 0.02 0.00 0.00 41.25 41.39 1bwy s ASN 59 CO 0.00 -0.39 0.33 0.42 0.02 0.00 0.00 177.10 177.48 1bwy s THR 60 N -2.73 0.07 -0.17 1.60 -4.23 -1.12 -4.99 115.64 104.06 1bwy s THR 60 Ca 0.01 -0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 59.71 1bwy s THR 60 Cb -0.01 -0.85 0.06 0.00 1.34 0.00 0.00 72.50 73.04 1bwy s THR 60 CO -0.04 -0.32 0.61 -1.83 -0.54 0.00 0.00 174.62 172.50 1bwy s GLU 61 N -2.19 0.80 -0.14 3.99 -1.05 -1.26 -0.35 118.70 118.51 1bwy s GLU 61 Ca -0.07 0.63 -0.18 0.00 -0.15 0.00 0.00 54.97 55.20 1bwy s GLU 61 Cb -0.02 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.10 1bwy s GLU 61 CO -0.01 -0.15 0.48 0.42 0.95 0.00 0.00 175.26 176.95 1bwy s ILE 62 N -0.17 0.01 0.01 1.83 -1.09 -0.91 -5.01 121.20 115.87 1bwy s ILE 62 Ca -0.04 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 1bwy s ILE 62 Cb -0.03 -0.71 -0.06 0.00 -1.58 0.00 0.00 42.46 40.08 1bwy s ILE 62 CO 0.03 -0.04 0.56 -0.94 -1.23 0.00 0.00 174.94 173.32 1bwy s SER 63 N -0.15 6.97 0.01 3.58 1.04 -1.26 -1.65 113.70 122.24 1bwy s SER 63 Ca -0.03 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1bwy s SER 63 Cb -0.03 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1bwy s SER 63 CO 0.02 0.18 -0.03 0.72 0.98 0.00 0.00 173.24 175.12 1bwy s PHE 64 N -0.54 0.22 -0.38 5.02 -0.71 0.43 -4.99 117.98 117.03 1bwy s PHE 64 Ca 0.29 -0.25 -0.07 0.00 -1.04 0.00 0.00 56.93 55.86 1bwy s PHE 64 Cb -0.18 -0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.55 1bwy s PHE 64 CO 0.17 -0.08 0.18 0.21 -1.34 0.00 0.00 175.22 174.36 1bwy s LYS 65 N -0.70 2.51 -0.56 1.99 2.36 -1.26 -0.80 119.74 123.28 1bwy s LYS 65 Ca -0.06 -1.40 -0.32 0.00 -2.55 0.00 0.00 55.97 51.63 1bwy s LYS 65 Cb -0.05 -3.60 -0.13 0.00 -1.05 0.00 0.00 37.83 33.00 1bwy s LYS 65 CO -0.00 -0.85 2.37 1.47 1.55 0.00 0.00 175.35 179.89 1bwy n LEU 66 N 4.81 1.64 0.00 5.43 -0.00 -1.26 -1.92 117.00 125.70 1bwy n LEU 66 Ca -0.10 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1bwy n LEU 66 Cb 0.43 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 1bwy n LEU 66 CO 0.35 -0.94 0.00 0.61 -0.00 0.00 0.00 177.39 177.41 1bwy n GLY 67 N 6.46 1.96 3.20 1.47 0.00 0.94 -4.90 105.19 114.32 1bwy n GLY 67 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 1bwy n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwy s VAL 68 N -2.00 0.14 -0.08 1.61 1.01 -0.81 -5.02 120.40 115.25 1bwy s VAL 68 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1bwy s VAL 68 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1bwy s VAL 68 CO 0.00 -0.65 -0.09 -1.83 0.00 0.00 0.00 175.10 172.53 1bwy s GLU 69 N -3.83 2.89 -0.02 2.72 -1.05 -1.26 -1.74 118.70 116.40 1bwy s GLU 69 Ca 0.05 -0.60 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 1bwy s GLU 69 Cb 0.05 -2.58 0.01 0.00 -0.44 0.00 0.00 34.13 31.17 1bwy s GLU 69 CO -0.11 0.54 -0.05 -0.59 0.95 0.00 0.00 175.26 176.00 1bwy s PHE 70 N -0.48 0.56 -0.35 4.83 -0.71 0.07 -4.96 117.98 116.94 1bwy s PHE 70 Ca 0.07 -0.12 -0.18 0.00 -1.04 0.00 0.00 56.93 55.66 1bwy s PHE 70 Cb -0.12 -0.44 -0.00 0.00 -1.21 0.00 0.00 43.02 41.25 1bwy s PHE 70 CO 0.02 -0.08 0.53 0.34 -1.34 0.00 0.00 175.22 174.70 1bwy s ASP 71 N 0.31 6.34 0.13 1.98 2.15 -1.26 -0.31 116.67 126.00 1bwy s ASP 71 Ca -0.03 0.01 -0.20 0.00 0.43 0.00 0.00 52.55 52.76 1bwy s ASP 71 Cb -0.07 -2.28 0.05 0.00 -0.30 0.00 0.00 42.92 40.32 1bwy s ASP 71 CO -0.00 -0.50 0.50 -0.70 -0.17 0.00 0.00 175.17 174.30 1bwy s GLU 72 N 2.44 1.14 -0.35 4.34 2.56 -0.44 -4.95 118.70 123.44 1bwy s GLU 72 Ca 0.20 -0.54 0.03 0.00 0.00 0.00 0.00 54.97 54.66 1bwy s GLU 72 Cb -0.15 0.52 0.10 0.00 2.00 0.00 0.00 34.13 36.60 1bwy s GLU 72 CO 0.13 -0.47 0.08 -0.08 -0.56 0.00 0.00 175.26 174.37 1bwy s THR 73 N -3.56 2.04 0.23 -1.70 -1.32 -1.26 -0.68 115.64 109.38 1bwy s THR 73 Ca 0.01 -2.28 -0.23 0.00 -1.21 0.00 0.00 61.69 57.98 1bwy s THR 73 Cb 0.00 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 1bwy s THR 73 CO -0.11 -0.64 0.80 0.28 -2.21 0.00 0.00 174.62 172.74 1bwy s THR 74 N 0.90 4.41 0.31 5.08 -1.32 -1.23 -4.89 115.64 118.90 1bwy s THR 74 Ca 0.12 1.56 0.07 0.00 -1.21 0.00 0.00 61.69 62.23 1bwy s THR 74 Cb -0.20 -3.99 0.30 0.00 -1.51 0.00 0.00 72.50 67.10 1bwy s THR 74 CO -0.10 0.30 1.72 0.00 -2.21 0.00 0.00 174.62 174.33 1bwy h ALA 75 N 3.67 1.67 -0.99 11.08 0.00 -1.94 0.12 119.26 132.86 1bwy h ALA 75 Ca -0.47 0.14 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 1bwy h ALA 75 Cb 1.20 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.74 1bwy h ALA 75 CO 0.65 -0.29 0.71 -0.40 0.00 0.00 0.00 179.25 179.92 1bwy n ASP 76 N -4.94 7.34 0.00 0.00 5.75 -1.26 -4.06 116.55 119.37 1bwy n ASP 76 Ca 0.25 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.24 1bwy n ASP 76 Cb 0.71 -0.92 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1bwy n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bwy n ASP 77 N -0.81 0.00 0.00 -1.12 8.00 -0.03 -4.97 116.55 117.61 1bwy n ASP 77 Ca 0.59 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1bwy n ASP 77 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bwy n ARG 78 N -1.24 0.00 -2.32 -1.24 1.74 0.20 -4.89 116.66 108.92 1bwy n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1bwy n ARG 78 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N -0.22 4.29 -0.02 5.56 2.20 -1.26 -3.58 119.74 126.71 1bwy s LYS 79 Ca 0.00 1.84 -0.09 0.00 -0.36 0.00 0.00 55.97 57.36 1bwy s LYS 79 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1bwy s LYS 79 CO 0.00 -0.58 0.19 0.14 -0.36 0.00 0.00 175.35 174.74 1bwy s VAL 80 N 2.64 0.06 -0.57 4.02 -7.23 0.14 -4.91 120.40 114.55 1bwy s VAL 80 Ca 0.60 -0.50 -0.19 0.00 -1.81 0.00 0.00 61.98 60.08 1bwy s VAL 80 Cb -0.28 -0.44 0.09 0.00 0.56 0.00 0.00 36.38 36.31 1bwy s VAL 80 CO 0.23 -0.28 0.71 -0.75 -0.31 0.00 0.00 175.10 174.70 1bwy s LYS 81 N -1.06 3.07 -0.33 4.82 2.20 0.52 -1.33 119.74 127.63 1bwy s LYS 81 Ca -0.11 -1.15 -0.26 0.00 -0.36 0.00 0.00 55.97 54.09 1bwy s LYS 81 Cb -0.06 -4.21 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 1bwy s LYS 81 CO 0.02 -1.48 0.92 -1.12 -0.36 0.00 0.00 175.35 173.33 1bwy s SER 82 N 3.37 6.75 -0.24 1.43 0.01 0.57 -0.47 113.70 125.13 1bwy s SER 82 Ca 0.14 0.76 -0.10 0.00 1.31 0.00 0.00 55.95 58.06 1bwy s SER 82 Cb -0.22 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1bwy s SER 82 CO 0.08 -0.77 0.15 -0.51 0.41 0.00 0.00 173.24 172.61 1bwy s ILE 83 N 3.32 5.32 -0.03 1.44 -1.16 0.42 -0.75 121.20 129.75 1bwy s ILE 83 Ca 0.38 0.17 0.07 0.00 -0.51 0.00 0.00 60.65 60.76 1bwy s ILE 83 Cb -0.13 -3.48 -0.02 0.00 0.61 0.00 0.00 42.46 39.45 1bwy s ILE 83 CO 0.15 0.35 -0.25 0.68 -2.81 0.00 0.00 174.94 173.06 1bwy s VAL 84 N 1.03 2.02 0.26 4.00 -7.23 -0.71 -0.64 120.40 119.12 1bwy s VAL 84 Ca 0.07 -1.07 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1bwy s VAL 84 Cb -0.13 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1bwy s VAL 84 CO 0.04 0.57 0.45 1.07 -0.31 0.00 0.00 175.10 176.92 1bwy n THR 85 N 2.64 0.00 -3.76 5.32 5.66 -0.30 -0.04 114.28 123.81 1bwy n THR 85 Ca -0.17 -0.90 -0.29 0.00 -3.05 0.00 0.00 64.05 59.64 1bwy n THR 85 Cb 0.51 0.71 -0.16 0.00 -1.55 0.00 0.00 70.33 69.84 1bwy n THR 85 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1bwy s LEU 86 N 0.00 1.79 -0.27 1.09 0.20 -1.26 -0.30 118.68 119.93 1bwy s LEU 86 Ca 0.15 -1.22 -0.10 0.00 0.69 0.00 0.00 54.13 53.64 1bwy s LEU 86 Cb -0.02 -0.78 -0.05 0.00 -0.43 0.00 0.00 46.19 44.91 1bwy s LEU 86 CO 0.11 -0.35 0.16 1.51 -0.29 0.00 0.00 176.35 177.49 1bwy s ASP 87 N 1.70 5.85 0.00 3.68 1.47 0.30 -4.84 116.67 124.83 1bwy s ASP 87 Ca 0.03 -0.04 0.00 0.00 1.18 0.00 0.00 52.55 53.72 1bwy s ASP 87 Cb -0.17 -2.08 0.00 0.00 -0.34 0.00 0.00 42.92 40.33 1bwy s ASP 87 CO -0.16 -0.03 0.00 0.61 0.68 0.00 0.00 175.17 176.27 1bwy n GLY 88 N 4.95 0.70 0.38 2.12 0.00 -1.26 -0.26 105.19 111.82 1bwy n GLY 88 Ca -0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1bwy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLY 89 N 0.00 0.16 3.25 -0.02 0.00 -1.26 -5.02 105.19 102.30 1bwy n GLY 89 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1bwy n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwy s LYS 90 N 0.00 3.06 -0.78 1.61 2.20 0.64 -4.70 119.74 121.77 1bwy s LYS 90 Ca 0.00 -0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 54.51 1bwy s LYS 90 Cb 0.00 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1bwy s LYS 90 CO 0.00 -0.33 1.30 -1.17 -0.36 0.00 0.00 175.35 174.79 1bwy s LEU 91 N 1.40 3.22 -0.50 5.43 2.96 0.46 -0.54 118.68 131.11 1bwy s LEU 91 Ca 0.03 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.10 1bwy s LEU 91 Cb -0.16 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.01 1bwy s LEU 91 CO -0.04 -1.79 0.84 0.68 -1.32 0.00 0.00 176.35 174.73 1bwy s VAL 92 N 5.61 4.55 -0.54 1.68 -7.23 0.59 -0.56 120.40 124.50 1bwy s VAL 92 Ca 0.36 0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.65 1bwy s VAL 92 Cb -0.07 -4.42 0.11 0.00 0.56 0.00 0.00 36.38 32.56 1bwy s VAL 92 CO 0.11 -0.91 0.55 -2.28 -0.31 0.00 0.00 175.10 172.27 1bwy s HIS 93 N 3.53 3.17 0.08 2.82 2.46 -1.19 -1.14 115.29 125.02 1bwy s HIS 93 Ca 0.29 -1.11 -0.16 0.00 0.47 0.00 0.00 55.06 54.55 1bwy s HIS 93 Cb -0.13 -3.76 -0.06 0.00 -0.13 0.00 0.00 32.58 28.49 1bwy s HIS 93 CO 0.20 -1.07 0.51 0.08 -2.47 0.00 0.00 174.74 172.00 1bwy s VAL 94 N 1.96 4.86 -0.31 0.89 1.01 0.19 -0.38 120.40 128.62 1bwy s VAL 94 Ca 0.06 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1bwy s VAL 94 Cb -0.27 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.42 1bwy s VAL 94 CO 0.05 0.45 0.11 -1.58 0.00 0.00 0.00 175.10 174.13 1bwy s GLN 95 N -1.41 0.62 -0.29 2.72 0.74 0.48 -0.43 119.66 122.08 1bwy s GLN 95 Ca 0.31 -0.99 -0.07 0.00 0.05 0.00 0.00 55.36 54.66 1bwy s GLN 95 Cb -0.17 -1.83 0.01 0.00 1.10 0.00 0.00 33.01 32.12 1bwy s GLN 95 CO 0.18 -1.00 0.07 0.21 -0.55 0.00 0.00 175.29 174.20 1bwy s LYS 96 N 1.68 3.09 -0.02 1.67 2.20 0.38 -0.35 119.74 128.39 1bwy s LYS 96 Ca 0.10 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1bwy s LYS 96 Cb -0.17 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1bwy s LYS 96 CO -0.27 -0.43 -0.06 -2.67 -0.36 0.00 0.00 175.35 171.56 1bwy n TRP 97 N 4.86 0.00 0.00 4.03 2.14 -1.19 -0.36 117.44 126.92 1bwy n TRP 97 Ca -0.15 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.42 1bwy n TRP 97 Cb 0.48 -0.08 0.00 0.00 -0.81 0.00 0.00 31.31 30.90 1bwy n TRP 97 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bwy n ASN 98 N -2.94 0.00 0.12 -0.67 6.94 -1.26 -4.84 115.26 112.61 1bwy n ASN 98 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.55 1bwy n ASN 98 Cb 0.09 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 37.84 1bwy n ASN 98 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1bwy h GLY 99 N 0.00 0.23 -0.51 4.83 0.00 -2.03 -3.44 103.07 102.15 1bwy h GLY 99 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1bwy h GLY 99 CO 0.00 0.16 -0.11 -1.06 0.00 0.00 0.00 176.54 175.53 1bwy n GLN 100 N -4.17 0.15 -4.25 4.80 3.00 -1.26 -5.17 117.38 110.47 1bwy n GLN 100 Ca -0.01 -0.92 -0.23 0.00 -0.01 0.00 0.00 57.00 55.83 1bwy n GLN 100 Cb 0.35 0.79 -0.07 0.00 0.00 0.00 0.00 30.24 31.31 1bwy n GLN 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1bwy n GLU 101 N -0.18 0.58 -4.19 -1.09 1.02 -1.26 -3.19 120.64 112.33 1bwy n GLU 101 Ca 0.02 -3.24 -0.16 0.00 -0.02 0.00 0.00 57.16 53.75 1bwy n GLU 101 Cb 0.17 1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 33.36 1bwy n GLU 101 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bwy s THR 102 N -3.02 0.00 -0.01 2.62 -1.32 0.53 -4.05 115.64 110.38 1bwy s THR 102 Ca 0.21 -1.82 0.01 0.00 -1.21 0.00 0.00 61.69 58.87 1bwy s THR 102 Cb 0.01 -2.55 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 1bwy s THR 102 CO 0.15 0.00 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.60 1bwy s SER 103 N -3.28 0.32 -0.52 8.08 1.04 0.58 -0.39 113.70 119.53 1bwy s SER 103 Ca 0.36 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1bwy s SER 103 Cb 0.02 -0.09 0.24 0.00 0.10 0.00 0.00 66.02 66.29 1bwy s SER 103 CO 0.22 -0.01 0.61 0.18 0.98 0.00 0.00 173.24 175.22 1bwy n LEU 104 N 3.38 1.91 -4.67 2.42 4.77 0.49 -0.62 117.00 124.66 1bwy n LEU 104 Ca -0.17 -5.04 -0.40 0.00 -0.03 0.00 0.00 56.01 50.37 1bwy n LEU 104 Cb 0.56 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1bwy n LEU 104 CO 0.25 2.03 0.42 0.54 -1.33 0.00 0.00 177.39 179.29 1bwy s VAL 105 N -1.69 5.01 -0.05 4.08 0.11 -0.22 -3.15 120.40 124.48 1bwy s VAL 105 Ca 0.36 1.31 0.03 0.00 -2.93 0.00 0.00 61.98 60.75 1bwy s VAL 105 Cb 0.14 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 1bwy s VAL 105 CO -0.08 0.13 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.55 1bwy s ARG 106 N 1.71 2.55 -0.14 1.54 0.52 0.28 -0.65 118.95 124.75 1bwy s ARG 106 Ca 0.32 -0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 54.61 1bwy s ARG 106 Cb -0.16 -2.39 0.06 0.00 0.52 0.00 0.00 34.95 32.97 1bwy s ARG 106 CO 0.12 0.60 0.58 -2.00 0.02 0.00 0.00 175.30 174.62 1bwy s GLU 107 N -0.67 0.79 -0.22 3.54 2.12 -0.30 -0.40 118.70 123.55 1bwy s GLU 107 Ca 0.10 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.90 1bwy s GLU 107 Cb -0.11 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1bwy s GLU 107 CO 0.01 -0.17 -0.02 1.41 -0.54 0.00 0.00 175.26 175.95 1bwy s MET 108 N -0.35 3.45 0.36 4.30 -2.45 -1.26 0.07 119.30 123.41 1bwy s MET 108 Ca -0.05 -0.59 0.08 0.00 -1.25 0.00 0.00 55.69 53.88 1bwy s MET 108 Cb -0.03 -3.07 -0.07 0.00 1.25 0.00 0.00 34.83 32.91 1bwy s MET 108 CO 0.04 -0.18 -0.04 0.14 1.05 0.00 0.00 175.02 176.04 1bwy s VAL 109 N 1.46 1.98 0.00 10.11 -7.23 -1.22 -4.97 120.40 120.52 1bwy s VAL 109 Ca 0.05 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1bwy s VAL 109 Cb -0.14 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1bwy s VAL 109 CO -0.02 -0.12 0.00 -0.67 -0.31 0.00 0.00 175.10 173.99 1bwy n ASP 110 N -0.83 0.00 -0.07 4.85 2.03 -1.26 -2.69 116.55 118.58 1bwy n ASP 110 Ca -0.05 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 110 Cb 0.65 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.09 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 2.30 3.12 0.27 0.00 -1.26 -5.01 105.19 104.61 1bwy n GLY 111 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1bwy n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 112 N -1.25 2.58 -0.58 1.61 1.02 -1.10 -4.16 119.74 117.86 1bwy s LYS 112 Ca 0.09 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.10 1bwy s LYS 112 Cb 0.08 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1bwy s LYS 112 CO 0.01 0.02 1.59 -1.17 -0.92 0.00 0.00 175.35 174.89 1bwy s LEU 113 N 0.74 3.34 -0.10 3.17 0.20 0.11 -3.44 118.68 122.69 1bwy s LEU 113 Ca -0.11 0.30 -0.24 0.00 0.69 0.00 0.00 54.13 54.78 1bwy s LEU 113 Cb -0.16 -2.84 -0.03 0.00 -0.43 0.00 0.00 46.19 42.73 1bwy s LEU 113 CO 0.02 -1.97 0.74 0.27 -0.29 0.00 0.00 176.35 175.12 1bwy s ILE 114 N 7.19 4.99 -0.28 6.68 -4.36 0.11 -0.50 121.20 135.02 1bwy s ILE 114 Ca 0.58 1.50 -0.01 0.00 -0.26 0.00 0.00 60.65 62.45 1bwy s ILE 114 Cb -0.12 -4.07 0.04 0.00 1.25 0.00 0.00 42.46 39.56 1bwy s ILE 114 CO 0.23 0.18 -0.02 -0.22 0.24 0.00 0.00 174.94 175.34 1bwy s LEU 115 N 1.26 3.69 -0.34 0.37 2.96 0.68 -1.15 118.68 126.14 1bwy s LEU 115 Ca 0.38 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 52.89 1bwy s LEU 115 Cb -0.17 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1bwy s LEU 115 CO 0.16 -0.22 0.71 -0.89 -1.32 0.00 0.00 176.35 174.79 1bwy s THR 116 N 1.26 4.82 -0.39 3.68 2.01 0.17 -0.68 115.64 126.52 1bwy s THR 116 Ca -0.04 0.83 -0.12 0.00 0.31 0.00 0.00 61.69 62.66 1bwy s THR 116 Cb -0.19 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1bwy s THR 116 CO -0.02 -0.32 0.24 -0.22 -0.69 0.00 0.00 174.62 173.61 1bwy s LEU 117 N 2.88 4.89 -0.05 4.42 2.96 0.08 -1.05 118.68 132.81 1bwy s LEU 117 Ca 0.28 -0.99 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1bwy s LEU 117 Cb -0.14 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.49 1bwy s LEU 117 CO 0.15 -0.42 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.79 1bwy s THR 118 N 1.59 0.77 0.34 3.68 2.01 0.20 0.06 115.64 124.30 1bwy s THR 118 Ca 0.03 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1bwy s THR 118 Cb -0.19 -0.74 -0.07 0.00 0.01 0.00 0.00 72.50 71.51 1bwy s THR 118 CO 0.08 0.27 0.03 -2.28 -0.69 0.00 0.00 174.62 172.02 1bwy s HIS 119 N 0.67 2.12 -0.96 4.92 5.04 -0.99 -0.31 115.29 125.78 1bwy s HIS 119 Ca -0.11 -0.84 -0.26 0.00 -1.54 0.00 0.00 55.06 52.31 1bwy s HIS 119 Cb -0.14 -1.39 -0.20 0.00 0.04 0.00 0.00 32.58 30.89 1bwy s HIS 119 CO 0.01 0.17 2.22 0.41 -2.34 0.00 0.00 174.74 175.21 1bwy n GLY 120 N -0.75 -0.35 0.00 1.59 0.00 -1.26 -4.20 105.19 100.23 1bwy n GLY 120 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwy n THR 121 N 8.90 -0.71 -0.21 2.61 5.66 -1.26 -5.08 114.28 124.20 1bwy n THR 121 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1bwy n THR 121 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy n ALA 122 N -0.18 -1.07 -2.62 1.79 0.00 -1.26 -5.01 120.51 112.16 1bwy n ALA 122 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1bwy n ALA 122 Cb 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1bwy n ALA 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bwy s VAL 123 N -3.31 0.47 -0.03 0.00 1.01 -1.26 -2.36 120.40 114.92 1bwy s VAL 123 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 1bwy s VAL 123 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1bwy s VAL 123 CO 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 175.10 174.57 1bwy s THR 125 N 0.29 4.98 -0.20 0.00 -4.23 -1.26 -0.74 115.64 114.49 1bwy s THR 125 Ca -0.02 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1bwy s THR 125 Cb -0.03 -4.09 0.05 0.00 1.34 0.00 0.00 72.50 69.76 1bwy s THR 125 CO -0.01 0.18 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.57 1bwy s ARG 126 N 1.21 1.79 -0.08 3.99 3.52 0.14 -3.44 118.95 126.09 1bwy s ARG 126 Ca 0.39 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1bwy s ARG 126 Cb -0.18 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1bwy s ARG 126 CO 0.18 -0.46 -0.12 0.95 -0.81 0.00 0.00 175.30 175.03 1bwy s THR 127 N 1.47 3.20 0.07 4.11 -4.23 0.24 -0.23 115.64 120.26 1bwy s THR 127 Ca -0.01 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.93 1bwy s THR 127 Cb -0.16 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1bwy s THR 127 CO -0.08 0.57 -0.24 -0.31 -0.54 0.00 0.00 174.62 174.03 1bwy s TYR 128 N -0.40 2.06 -0.08 3.99 2.02 0.34 -1.26 117.35 124.02 1bwy s TYR 128 Ca 0.05 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1bwy s TYR 128 Cb -0.12 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1bwy s TYR 128 CO 0.02 0.16 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.07 1bwy s GLU 129 N -1.43 1.47 -0.13 -0.62 2.12 0.66 0.05 118.70 120.82 1bwy s GLU 129 Ca 0.10 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.86 1bwy s GLU 129 Cb -0.10 -1.40 -0.05 0.00 0.26 0.00 0.00 34.13 32.85 1bwy s GLU 129 CO 0.03 -0.13 1.77 0.21 -0.54 0.00 0.00 175.26 176.59 1bwy s LYS 130 N 1.22 3.88 -0.06 4.30 2.20 -1.26 -0.05 119.74 129.96 1bwy s LYS 130 Ca -0.05 2.02 0.13 0.00 -0.36 0.00 0.00 55.97 57.72 1bwy s LYS 130 Cb -0.14 -4.09 -0.23 0.00 -1.51 0.00 0.00 37.83 31.86 1bwy s LYS 130 CO -0.02 -1.22 0.60 0.00 -0.36 0.00 0.00 175.35 174.35 1bwy n GLN 131 N 7.63 0.64 0.00 4.03 10.64 0.53 -4.88 117.38 135.97 1bwy n GLN 131 Ca 0.20 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.64 1bwy n GLN 131 Cb 0.44 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23